UCSF

ZINC42437520

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 14 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.20 6.01 -34.41 1 2 1 17 212.7 4
Hi High (pH 8-9.5) 2.20 3.63 -4.56 0 2 0 16 211.692 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )